MolTranscode/pyproject.toml at main · PerinMu/MolTranscode · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
[build-system]
requires = ["setuptools>=69", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "moltranscode"
version = "0.2.0"
description = "Auditable transcoding between biomolecular sequences, chemical formats, and fingerprints"
readme = "README.md"
requires-python = ">=3.10"
license = { text = "MIT" }
authors = [
  { name = "PerinMu", email = "143702874+PerinMu@users.noreply.github.com" },
]
keywords = ["cheminformatics", "smiles", "peptide", "protein", "fingerprint", "rdkit"]
classifiers = [
  "Development Status :: 3 - Alpha",
  "Intended Audience :: Science/Research",
  "License :: OSI Approved :: MIT License",
  "Programming Language :: Python :: 3",
  "Programming Language :: Python :: 3 :: Only",
  "Topic :: Scientific/Engineering :: Bio-Informatics",
  "Topic :: Scientific/Engineering :: Chemistry",
]
dependencies = [
  "rdkit>=2024.3.5",
  "selfies>=2.1.1",
]

[project.optional-dependencies]
dev = [
  "pytest>=8.0",
  "pytest-cov>=5.0",
  "ruff>=0.5",
]
gui = [
  "streamlit>=1.60",
]

[project.scripts]
moltranscode = "moltranscode.cli:main"
moltranscode-gui = "moltranscode.gui:main"

[project.urls]
Homepage = "https://github.com/PerinMu/MolTranscode"
Repository = "https://github.com/PerinMu/MolTranscode"
Issues = "https://github.com/PerinMu/MolTranscode/issues"
Documentation = "https://github.com/PerinMu/MolTranscode#readme"

[tool.setuptools]
package-dir = {"" = "src"}

[tool.setuptools.packages.find]
where = ["src"]

[tool.pytest.ini_options]
addopts = "-q"
testpaths = ["tests"]

[tool.ruff]
line-length = 100
target-version = "py310"

[tool.ruff.lint]
select = ["E", "F", "I", "UP", "B"]